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Compound Detail

CHEMBL595170

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COc1cccc(-c2noc3cc(-c4ccccc4)n(C)c(=O)c23)c1

Basic Information

ChEMBL ID CHEMBL595170
Phase Preclinical
Structure Type MOL
InChI Key ZWROSNGJNLMLTH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.87
ALogP
5
HBA
0
HBD
57.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N2O3
MW 332.36
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 7
CHEMBL3879
IC50 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20005101 10.1016/j.bmcl.2009.11.070 Metabotropic glutamate receptor 7 1

Data from ChEMBL 36 via Core Engine